N-(3-chloranyl-4-cyano-phenyl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(3-chloro-4-cyano-phenyl)acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(3-chloro-4-cyano-phenyl)acetamide Formula: C20H22ClN4O+ MolecularWeight: 369.86788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)C#N)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)C#N)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H21ClN4O/c21-19-12-18(7-6-17(19)13-22)23-20(26)15-25-10-8-24(9-11-25)14-16-4-2-1-3-5-16/h1-7,12H,8-11,14-15H2,(H,23,26)/p+1